1-[2-(1,3-benzothiazol-2-ylamino)ethanoylamino]-3-(3-methoxyphenyl)thiourea

Systemtic Name: 1-[2-(1,3-benzothiazol-2-ylamino)ethanoylamino]-3-(3-methoxyphenyl)thiourea Openeye Name: 1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-(3-methoxyphenyl)thiourea CAS Name: 1-[[2-(1,3-benzothiazol-2-ylamino)-1-oxoethyl]amino]-3-(3-methoxyphenyl)thiourea IUPAC Name: 1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-(3-methoxyphenyl)thiourea Traditional Name: 1-[[2-(1,3-benzothiazol-2-ylamino)acetyl]amino]-3-(3-methoxyphenyl)thiourea Formula: C17H17N5O2S2 MolecularWeight: 387.47918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NNC(=O)CNC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NNC(=O)CNC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H17N5O2S2/c1-24-12-6-4-5-11(9-12)19-16(25)22-21-15(23)10-18-17-20-13-7-2-3-8-14(13)26-17/h2-9H,10H2,1H3,(H,18,20)(H,21,23)(H2,19,22,25)