1-[1-[3-(diethylaminomethyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]ethylamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[1-[3-(diethylaminomethyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene]ethylamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[1-[3-(diethylaminomethyl)-4-oxo-cyclohexa-2,5-dien-1-ylidene]ethylamino]thiourea CAS Name: 1-[1-[3-(diethylaminomethyl)-4-oxo-1-cyclohexa-2,5-dienylidene]ethylamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[1-[3-(diethylaminomethyl)-4-oxocyclohexa-2,5-dien-1-ylidene]ethylamino]thiourea Traditional Name: 1-benzyl-3-[1-[3-(diethylaminomethyl)-4-keto-cyclohexa-2,5-dien-1-ylidene]ethylamino]thiourea Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC(=C(C)NNC(=S)NCC2=CC=CC=C2)C=CC1=O

Isomeric SMILES

CCN(CC)CC1=CC(=C(C)NNC(=S)NCC2=CC=CC=C2)C=CC1=O

InChI

InChI=1S/C21H28N4OS/c1-4-25(5-2)15-19-13-18(11-12-20(19)26)16(3)23-24-21(27)22-14-17-9-7-6-8-10-17/h6-13,23H,4-5,14-15H2,1-3H3,(H2,22,24,27)