1-[[(2R)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]-3-(3-methoxyphenyl)thiourea

Systemtic Name: 1-[[(2R)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]-3-(3-methoxyphenyl)thiourea Openeye Name: 1-[[(2R)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]-3-(3-methoxyphenyl)thiourea CAS Name: 1-[[(2R)-2-(1,3-benzothiazol-2-ylamino)-1-oxopropyl]amino]-3-(3-methoxyphenyl)thiourea IUPAC Name: 1-[[(2R)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]-3-(3-methoxyphenyl)thiourea Traditional Name: 1-[[(2R)-2-(1,3-benzothiazol-2-ylamino)propanoyl]amino]-3-(3-methoxyphenyl)thiourea Formula: C18H19N5O2S2 MolecularWeight: 401.50576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NC1=CC(=CC=C1)OC)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](C(=O)NNC(=S)NC1=CC(=CC=C1)OC)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H19N5O2S2/c1-11(19-18-21-14-8-3-4-9-15(14)27-18)16(24)22-23-17(26)20-12-6-5-7-13(10-12)25-2/h3-11H,1-2H3,(H,19,21)(H,22,24)(H2,20,23,26)/t11-/m1/s1