1-[2-[[3-(2-methylphenyl)-4-oxidanylidene-4aH-quinazolin-3-ium-2-yl]sulfanyl]ethanoylamino]-3-phenyl-thiourea

Systemtic Name: 1-[2-[[3-(2-methylphenyl)-4-oxidanylidene-4aH-quinazolin-3-ium-2-yl]sulfanyl]ethanoylamino]-3-phenyl-thiourea Openeye Name: 1-[[2-[[3-(o-tolyl)-4-oxo-4aH-quinazolin-3-ium-2-yl]sulfanyl]acetyl]amino]-3-phenyl-thiourea CAS Name: 1-[[2-[[3-(2-methylphenyl)-4-oxo-4aH-quinazolin-3-ium-2-yl]thio]-1-oxoethyl]amino]-3-phenylthiourea IUPAC Name: 1-[[2-[[3-(2-methylphenyl)-4-oxo-4aH-quinazolin-3-ium-2-yl]sulfanyl]acetyl]amino]-3-phenylthiourea Traditional Name: 1-[[2-[[4-keto-3-(o-tolyl)-4aH-quinazolin-3-ium-2-yl]thio]acetyl]amino]-3-phenyl-thiourea Formula: C24H22N5O2S2+ MolecularWeight: 476.59378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1[N+]2=C(N=C3C=CC=CC3C2=O)SCC(=O)NNC(=S)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1[N+]2=C(N=C3C=CC=CC3C2=O)SCC(=O)NNC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C24H21N5O2S2/c1-16-9-5-8-14-20(16)29-22(31)18-12-6-7-13-19(18)26-24(29)33-15-21(30)27-28-23(32)25-17-10-3-2-4-11-17/h2-14,18H,15H2,1H3,(H2-,25,27,28,30,32)/p+1